Molecule

ID:85102

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃Cl₂N
Molecular Mass
278.17642
Exact Mass
277.04250478
Charge
0
InChI
InChI=1S/C15H13Cl2N/c16-9-11(17)10-18-14-7-3-1-5-12(14)13-6-2-4-8-15(13)18/h1-8,11H,9-10H2
InChIKey
SJSRIMPBLBCLCK-UHFFFAOYSA-N
Canonic Smiles
ClCC(Cn1c2ccccc2c2c1cccc2)Cl
Isomeric Smiles
n1(c2ccccc2c2c1cccc2)CC(Cl)CCl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.7033086
LogD (pH = 7.4)
4.7033086
Log P
4.7033086
Molar Refractivity
76.7257
Polarizability
32.143555
Polar Surface Area
4.93
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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